(13C)methanol

• ChemBase编号: 135104
• 分子式: CH4O
• 平均质量: 33.03451484
• 单一同位素质量: 33.02956959
• SMILES: [13CH3]O
• Canonical SMILES: [13CH3]O
• InChI: InChI=1S/CH4O/c1-2/h2H,1H3/i1+1
• InChIKey: OKKJLVBELUTLKV-OUBTZVSYSA-N

名称和登记号

名称

• IUPAC标准名: (^1^3C)methanol
• IUPAC传统名: (^1^3C)methanol
• 别名: 木精-13C,d3; 甲醇-13C,d3; 甲醇-13C, d2（木精）; 甲醇-13C,d2; 甲醇-13C,d2; 氘代甲醇-D-13C; 氘代甲醇,13C; 木精-13C; 甲醇-13C; 木精-13C,d4; 氘代甲醇-13C,d3; 甲醇-13C,d4; Methyl-13C,d3 alcohol; Methanol-13C,d3; Methanol-13C, d2 (Methyl alcohol); Methyl-13C,d2 alcohol; Methanol-13C,d2; Methyl-13C alcohol-d; Methan(ol-d),13C; Methyl-13C alcohol; Methanol-13C; Methyl alcohol-13C,d4; Methyl-13C,d3 alcohol-d; Methanol-13C,d4

登记号

• CAS号: 14742-26-8; 154441-63-1; 93704-35-9; 32479-98-4
• EC号: 200-659-6
• MDL号: MFCD08702852; MFCD00064285; MFCD08702923; MFCD00190340; MFCD00037595
• Beilstein号: 1697016
• PubChem SID: 24856739; 24857684; 24884116; 162229379
• PubChem CID: 11205710

理论计算性质

• Acid pKa: 15.775593
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -0.51857704
• LogD (pH = 7.4): -0.5185771
• Log P: -0.51857704
• 摩尔折射率: 8.2613 cm^3
• 极化性: 3.208889 Å^3
• 极化表面积: 20.23 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: -98 °C(lit.)
• 沸点: 64.7 °C(lit.); 65.4 °C; 65.4 °C(lit.)
• 闪点: 11 °C; 51.8 °F
• 密度: 0.815 g/mL at 25 °C; 0.840 g/mL at 25 °C; 0.865 g/mL at 25 °C; 0.888 g/mL at 25 °C(lit.); 0.915 g/mL at 25 °C
• 折射率: n20/D 1.3256(lit.); n20/D 1.329; n20/D 1.329(lit.)
• 质量偏移: M+1; M+2; M+3; M+4; M+5

安全信息

• RTECS编号: PC1400000
• 欧盟危险性物质标志: 易燃性(Flammable) (F); 有毒(Toxic) (T)
• 联合国危险货物编号: 1230
• 德国WGK号: 1; 3
• 联合国危险货物等级: 3
• 联合国危险货物包装类别(PG): 2
• 危险公开号: 11; 11-23/24/25-39/23/24/25; 11-23/25
• 安全公开号: 16; 7-16-24-45; 7-16-36/37-45
• GHS危险品标识: GHS02; GHS06; GHS08
• GHS警示词: Danger
• GHS危险声明: H225-H301-H311-H315-H319-H331-H370; H225-H301-H311-H331-H370; H225-H301-H331
• GHS警示性声明: P210-P260-P280-P301 + P310-P305 + P351 + P338-P311; P210-P260-P280-P301 + P310-P311; P210-P261-P301 + P310-P311
• 个人保护装置: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1230 3/PG 2

产品相关信息

• 级别: puriss.
• 同位素纯度: ≥98.5 atom % 13C; 97 atom % 13C; 98 atom % D; 99 atom % 13C; 99.5 atom % D
• Mol. Weight: mol wt 33.03 by atom % calculation; mol wt 34.04 by atom % calculation; mol wt 34.98 by atom % calculation; mol wt 35.98 by atom % calculation; mol wt 37.06 by atom % calculation
• 线性分子式: 13CD3OD; 13CD3OH; 13CH3OD; 13CH3OH; 13CHD2OH

详细说明

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1, 5 g in ampule
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Sigma Aldrich - 277177

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1, 5 g in ampule
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Sigma Aldrich - 639273

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